![CAS 126215-93-8 3-Chloro-6,7-dihydro-5H-cyclopenta[b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126215-93-8.gif)
CAS RN: 126215-93-8
3-Chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
- Product code: SSC-033078
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
126215-93-8 / 3-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
Basic Information
CAS
126215-93-8
Multi CAS
No
Molecular Formula
C8H8ClN
Molecular Weight
153.610000
Exact Mass
153.034527
SMILES
C1CC2=C(C1)N=CC(=C2)Cl
InChI
InChI=1S/C8H8ClN/c9-7-4-6-2-1-3-8(6)10-5-7/h4-5H,1-3H2
InChIKey
YIQNGDVIVYLVIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
1
Molar refractivity
41.27
TPSA
12.89
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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